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MOL
MOL
Name:3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
Formula:C15 H19 N3 O2
SMILES:O=CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3
InChi:InChI=1/C15H19N3O2/c16-15(10-12-4-2-1-3-5-12)7-9-17-8-6-13(11-19)18(17)14(15)20/h1-5,11,13H,6-10,16H2/t13-,15+/m0/s1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(1S,7S)-7-amino-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde
638
638
Name:[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
Formula:C41 H38 N6 O5 S2
SMILES:O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7
InChi:InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H
Synonyms:XV638
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide)
395
395
Name:S-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
Formula:C23 H26 F N O4
SMILES:O=C(O)c1ccc(c(F)c1)NC(=O)C(O)c2ccc3c(c2)C(CCC3(C)C)(C)C
InChi:InChI=1/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1/f/h25,28H
Synonyms:BMS270395
Definition date:2000-05-10
Last modified:2008-10-14
Identifier:3-fluoro-4-{[(2S)-2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino}benzoic acid
BP
BP
Name:(-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
Formula:C20 H16 O3
SMILES:OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol
BPC
BPC
Name:(7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL
Formula:C20 H16 O3
SMILES:OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O
InChi:InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
Definition date:2001-10-04
Last modified:2008-10-14
Identifier:(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol
E4N
E4N
Name:TETRAETHYLAMMONIUM ION
Formula:C8 H20 N
SMILES:CC[N+](CC)(CC)CC
InChi:InChI=1/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:N,N,N-triethylethanaminium
GLB
GLB
Name:BETA-D-GALACTOSE
Formula:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:beta-D-galactopyranose
GLW
GLW
Name:6-DEOXYGLUCOSE
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1
Definition date:2001-12-06
Last modified:2008-10-14
Identifier:6-deoxy-alpha-D-glucopyranose
GUR
GUR
Name:GLYCOLURIL
Formula:C4 H6 N4 O2
SMILES:O=C1NC2NC(=O)NC2N1
InChi:InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
AFL
AFL
Name:ALPHA-L-FUCOSE
Formula:C6 H12 O5
SMILES:OC1C(O)C(OC(O)C1O)C
InChi:InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
Definition date:2002-09-19
Last modified:2008-10-14
Identifier:6-deoxy-beta-L-galactopyranose
AGC
AGC
Name:ALPHA-D-GLUCOSE
Formula:C6 H12 O6
SMILES:OC1C(O)C(OC(O)C1O)CO
InChi:InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:2003-10-15
Last modified:2008-10-14
Identifier:alpha-D-glucopyranose
ITS
ITS
Name:INOSITOL 1,3,4,5-TETRAKISPHOSPHATE
Formula:C6 H16 O18 P4
SMILES:O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1/f/h9-10,12-13,15-16,18-19H
Definition date:1999-07-08
Last modified:2008-10-14
Identifier:(1R,2S,3S,4S,5S,6S)-4,6-dihydroxycyclohexane-1,2,3,5-tetrayl tetrakis[dihydrogen (phosphate)]
IU6
IU6
Name:6-ETHYL-ISO-URSODEOXYCHOLIC ACID
Formula:C26 H44 O4
SMILES:O=C(O)CCC(C4C3(C(C1C(C2(C(C(CC)C1O)CC(O)CC2)C)CC3)CC4)C)C
InChi:InChI=1/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/f/h28H
Definition date:2003-03-25
Last modified:2008-10-14
Identifier:(3beta,5beta,6beta,7beta,9beta)-6-ethyl-3,7-dihydroxycholan-24-oic acid
DGM
DGM
Name:D-GLUCOPYRANOSYLIUM
Formula:C6 H11 O5
SMILES:OC1C(O)C(O)[CH+]OC1CO
InChi:InChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1
Definition date:2005-08-30
Last modified:2008-10-14
Identifier:(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium
DHO
DHO
Name:DEOXYCHOLIC ACID
Formula:C24 H40 O4
SMILES:O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
InChi:InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/f/h27H
Definition date:2000-09-08
Last modified:2008-10-14
Identifier:(3beta,5beta,9beta,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid

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PDB entries from 2024-08-07

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